CID 165745370

En300-28247100

Structural Information

Molecular Formula
C15H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/2\CCOC3=C2C=CN=C3
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)9-11-6-8-18-13-10-17-7-5-12(11)13/h5,7,9-10H,6,8H2,1-4H3/b11-9+
InChIKey
RNDIYJOAMOHBNA-PKNBQFBNSA-N
Compound name
(4E)-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3-dihydropyrano[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16091 161.0
[M+Na]+ 296.14285 173.8
[M+NH4]+ 291.18745 171.9
[M+K]+ 312.11679 166.3
[M-H]- 272.14635 168.0
[M+Na-2H]- 294.12830 167.2
[M]+ 273.15308 165.2
[M]- 273.15418 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.